Geometry & MOs

Info

ID:

120309

PubChem CID:

50722048

Reduced:

Cl3O4N5C30H30 (1)

Stoich.:

A3B4C5D30E30 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-135.46

Dipole, Da:

6.12

IP(EA), eV:

 -8.82(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations